General Information of the Compound
Compound ID
CP0066654
Compound Name
(5R)-5-[(1R)-1-[[6-[1-(difluoromethyl)pyrazol-4-yl]-[1,3]thiazolo[5,4-c]pyridin-4-yl]oxy]ethyl]-1,3-oxazolidin-2-one
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Structure
Formula
C15H13F2N5O3S
Molecular Weight
381.364
Canonical SMILES
C[C@@H](Oc1nc(cc2ncsc12)-c1cnn(c1)C(F)F)[C@H]1CNC(=O)O1
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InChI
InChI=1S/C15H13F2N5O3S/c1-7(11-4-18-15(23)25-11)24-13-12-10(19-6-26-12)2-9(21-13)8-3-20-22(5-8)14(16)17/h2-3,5-7,11,14H,4H2,1H3,(H,18,23)/t7-,11-/m1/s1
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InChIKey
BOAKEOMCZWRBDF-RDDDGLTNSA-N
Physicochemical Property
logP
2.8256
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
91.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 122191639
ChEMBL ID
CHEMBL3622203
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01441, Tyrosine-protein kinase SYK
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000003 Ramos Homo sapiens (Human)  1
1
IC50 = 284 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 38 nM